6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one

C7H11N3OS — CID 816917

IUPAC6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nc(N)c(C)c(=O)n1C
InChIInChI=1S/C7H11N3OS/c1-4-5(8)9-7(12-3)10(2)6(4)11/h8H2,1-3H3
InChIKeyNORZOCSYIXODJH-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.39
Rot. Bonds1

About 6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one

6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one (PubChem CID 816917) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one
PubChem CID816917
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nc(N)c(C)c(=O)n1C
InChIInChI=1S/C7H11N3OS/c1-4-5(8)9-7(12-3)10(2)6(4)11/h8H2,1-3H3
InChIKeyNORZOCSYIXODJH-UHFFFAOYSA-N
XLogP0.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one (CID 816917) is 6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one is CSc1nc(N)c(C)c(=O)n1C.
What is the InChIKey of 6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one?
The InChIKey is NORZOCSYIXODJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4-5(8)9-7(12-3)10(2)6(4)11/h8H2,1-3H3.
What are the key properties of 6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one?
6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one has a molecular weight of 185.25 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,5-dimethyl-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 816917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).